Geometry & MOs

Info

ID:	67781
PubChem CID:	46507154
Reduced:	FO2N4H17C19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	383.19574
ΔH_f, kcal/mol:	-61.41
Dipole, Da:	8.24
IP(EA), eV:	-8.88(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-4-(2-methylpropyl)-1,5-dioxo-2H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N2C=CN=C(C2=O)NC(=O)NC3=CC=C(C=C3)F)C

DOS

IR

Vibrations